SCHEMBL7429126

SCHEMBL7429126

CCCc1c(C(=O)COC)c2ccc(C(=O)OC)cc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
MAPT P10636 3/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
USP14 P54578 1/20 0.37
EDNRA P25101 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK10 P53779 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7422706 0.92 SLC22A12 (0.41) SLC22A12MAPK1EDNRAALDH1A1
SCHEMBL7426123 0.92 SLC22A12 (0.39) MEN1KMT2ASLC22A12MAPTTSHR
SCHEMBL7423537 0.91 MEN1 (0.40) MEN1KMT2ARXFP1SLC22A12MAPT
SCHEMBL7419283 0.82 SMN1; SMN2 (0.41) MEN1KMT2ARXFP1SLC22A12MAPT
SCHEMBL7424082 0.81 SLC22A12 (0.42) MEN1KMT2ASLC22A12TSHRSMN1; SMN2
SCHEMBL7420199 0.80 SLC22A12 (0.37) MEN1KMT2ASLC22A12SMN1; SMN2EDNRA
SCHEMBL7426853 0.80 SLC22A12 (0.40) MEN1KMT2ASLC22A12TSHRSMN1; SMN2
SCHEMBL7416403 0.78 MAPT (0.41) MEN1KMT2AMAPTGAALMNA
SCHEMBL7419376 0.78 MAPT (0.43) MEN1KMT2AMAPTGAALMNA
SCHEMBL7423832 0.77 SLC22A12 (0.46) SLC22A12MAPTTSHRGAASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed